Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL22573139 | 0.84 | TDP1 (0.38) | TDP1MAPK1CYP3A4TRPA1ALDH1A1 | |
| SCHEMBL10390731 | 0.82 | TDP1 (0.39) | TDP1MAPK1CYP3A4TRPA1ALDH1A1 | |
| SCHEMBL9330859 | 0.80 | TDP1 (0.38) | TDP1MAPK1CYP3A4TRPA1ALDH1A1 | |
| SCHEMBL31448284 | 0.79 | CES2 (0.39) | TDP1CYP3A4TRPA1ALDH1A1HPGD | |
| SCHEMBL1647291 | 0.79 | CES2 (0.39) | TDP1CYP3A4TRPA1ALDH1A1HPGD | |
| SCHEMBL1950823 | 0.77 | MAPK1 (0.42) | TDP1MAPK1 | |
| SCHEMBL10316547 | 0.77 | TDP1 (0.38) | TDP1MAPK1CYP3A4TRPA1ALDH1A1 | |
| SCHEMBL1944267 | 0.76 | TDP1 (0.42) | TDP1MAPK1CYP3A4TRPA1ALDH1A1 | |
| SCHEMBL6355034 | 0.76 | CYP3A4 (0.44) | TDP1CYP3A4TRPA1ALDH1A1HPGD | |
| SCHEMBL7922001 | 0.76 | TDP1 (0.47) | TDP1MAPK1CYP3A4TRPA1ALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1140735-A1 | PREPARATION OF NUCLEAR CHLORINATED AROMATIC COMPOUNDS | OCCIDENTAL CHEMICAL CORPORATION (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000040524-A1 | PREPARATION OF NUCLEAR CHLORINATED AROMATIC COMPOUNDS | OCCIDENTAL CHEMICAL CORPORATION (US) | 2000-07-13 | — | — | WO | disclosed |
| US-5981789-A | CHLORODENITRATING AROMATIC COMPOUNDS USING LESS CHLORINATING AGENT AND LOWER TEMPERATURES, THEN RECYCLING THE PRODUCT MIXTURE TO INCREASE THE YIELD | OCCIDENTAL CHEMICAL CORPORATION (US) | 1999-11-09 | — | — | US | disclosed |
| US-4704483-A | FLUORINATION WITH POTASSIUM FLUORIDE | OCCIDENTAL CHEMICAL CORPORATION (US) | 1987-11-03 | — | — | US | disclosed |
| US-4582948-A | VAPOR PHASE CHLORO-DENITRATION REACTION | OCCIDENTAL CHEMICAL CORPORATION (US) | 1986-04-15 | — | — | US | disclosed |
| EP-0159388-A2 | Preparation of nuclear chlorinated compounds | OCCIDENTAL CHEMICAL CORPORATION (US) | 1985-10-30 | — | — | EP | disclosed |